HMDB0254777 RDKit 3D Pyro(l-alpha-aminoadipyl)-L-histidyl-L-thiazolidine-4-carboxamide 49 51 0 0 0 0 0 0 0 0999 V2000 -5.3152 -1.6116 -1.4366 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2465 -0.9450 -0.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5568 0.0538 -0.0495 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8587 -1.4307 -0.8119 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8329 -2.8586 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6840 -2.4769 1.5191 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3013 -0.6830 1.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9598 -0.6352 -0.0438 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8439 0.0995 -0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6095 0.0633 -1.8106 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0547 0.9022 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3366 2.3708 0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6649 2.6491 0.8379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8186 2.7396 0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8053 3.0212 0.9650 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 3.1090 2.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9946 2.8774 2.1171 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3563 0.9359 -0.4538 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5495 0.5759 0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5453 0.2149 1.4169 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8249 0.6254 -0.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7426 -0.2855 -1.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7276 -1.7390 -1.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0089 -2.0549 -0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1844 -1.1256 0.5113 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5904 -1.5623 1.6322 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8902 0.2370 0.3267 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5160 -1.2975 -2.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8447 -2.3594 -0.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5255 -1.4778 -1.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8199 -3.3386 -0.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9927 -3.4310 -0.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3981 -0.4500 1.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 -0.0656 1.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2641 0.4943 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2082 2.7250 -0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 2.8815 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9095 2.6060 -0.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8976 3.3289 3.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3828 2.8923 2.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3803 1.2269 -1.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9826 1.6537 -0.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6272 -0.1075 -2.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7956 -0.0756 -2.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6237 -2.3639 -2.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8361 -1.9082 -0.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8528 -1.8730 -1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0296 -3.0844 -0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4363 0.9571 0.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 11 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 8 4 1 0 17 13 1 0 27 21 1 0 1 28 1 0 1 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 7 33 1 0 7 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 14 38 1 0 16 39 1 0 17 40 1 0 18 41 1 0 21 42 1 0 22 43 1 0 22 44 1 0 23 45 1 0 23 46 1 0 24 47 1 0 24 48 1 0 27 49 1 0 M END